HMDB0060430 RDKit 3D Aflatoxin B1 diol 39 43 0 0 0 0 0 0 0 0999 V2000 -2.7126 2.2575 -1.9653 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5432 1.2243 -1.0121 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2426 0.7426 -0.8399 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1634 1.2259 -1.5437 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0991 0.7109 -1.3311 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2334 -0.2931 -0.3980 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1458 -0.7902 0.3209 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2876 -1.7474 1.2073 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7275 -2.2368 1.9027 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5591 -3.1562 2.7469 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0118 -1.7648 1.7360 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1957 -0.7585 0.8120 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1126 -0.2728 0.1050 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6245 -0.3855 0.7727 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3436 -1.4474 1.5758 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2705 -2.1285 2.3648 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4964 -2.8490 3.3536 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6631 -0.6518 -0.3688 C 0 0 1 0 0 0 0 0 0 0 0 0 3.1612 -0.1836 -1.7077 C 0 0 1 0 0 0 0 0 0 0 0 0 2.3630 0.9969 -1.8872 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4806 0.1100 -1.4708 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5044 0.7989 -0.2775 C 0 0 1 0 0 0 0 0 0 0 0 0 4.3186 2.1723 -0.5441 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4098 0.2486 0.5854 C 0 0 2 0 0 0 0 0 0 0 0 0 3.8466 -0.3884 1.7196 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2313 2.0195 -2.9411 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7980 2.4833 -2.0986 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2512 3.2172 -1.6222 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3046 2.0165 -2.2704 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8138 0.5996 1.2552 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0518 -0.4197 -0.2499 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0296 -0.9990 2.3222 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9264 -2.1428 0.9615 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8425 -1.7207 -0.1741 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9880 -0.9232 -2.4894 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5028 0.6224 0.1939 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8093 2.3804 -1.3834 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7354 1.1092 0.8555 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0189 0.3237 2.4095 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 2 0 9 11 1 0 11 12 2 0 12 13 1 0 12 14 1 0 14 15 1 0 15 16 1 0 16 17 2 0 6 18 1 0 18 19 1 0 19 20 1 0 19 21 1 0 21 22 1 0 22 23 1 0 22 24 1 0 24 25 1 0 13 3 1 0 24 18 1 0 20 5 1 0 13 7 2 0 16 11 1 0 1 26 1 0 1 27 1 0 1 28 1 0 4 29 1 0 14 30 1 0 14 31 1 0 15 32 1 0 15 33 1 0 18 34 1 1 19 35 1 6 22 36 1 1 23 37 1 0 24 38 1 1 25 39 1 0 M END